Molecule card · MolClass #51671
14732404
14732404: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14732404Mitochondrial Fusion · compound_name
- MolClass ID
- 51671
- InChIKey
- RSHYHVILOTWLLY-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1ccc(cc1)NC(NCc2cccs2)=S
- Standard InChI
- InChI=1S/C15H18N2S2/c1-11(2)12-5-7-13(8-6-12)17-15(18)16-10-14-4-3-9-19-14/h3-9,11H,10H2,1-2H3,(H2,16,17,18)
- Stored Murcko scaffold
- s1cccc1CN[CH]Nc2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- RJF 00373#80643
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.45 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.868
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14732404